UCSF

ZINC42769032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 7.54 -11.05 0 3 0 30 209.252 1
Lo Low (pH 4.5-6) 2.09 7.98 -30.24 1 3 1 31 210.26 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )